SCHEMBL13644443

SCHEMBL13644443

N#Cc1ccccc1-c1cc2c(-c3ccccc3)cc(-c3ccccc3)nc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ SQOR Q9Y6N5 6/20 0.46
▸ ADORA1 P30542 4/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13642865 1.00 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL13644449 0.97 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL13084035 0.97 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL13643005 0.92 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL13642960 0.89 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL13644452 0.85 TRPA1 (0.40) GABRG2GABRB3GABRA5GABRA3MAPK1
SCHEMBL13642846 0.85 TRPA1 (0.40) GABRG2GABRB3GABRA5GABRA3MAPK1
SCHEMBL13644495 0.84 PIM1 (0.49) MAPK1NPSR1HPGDCYP1A2CYP2C9
SCHEMBL13083877 0.84 PIM1 (0.49) MAPK1NPSR1HPGDCYP1A2CYP2C9
SCHEMBL13643003 0.83 ABCG2 (0.51) GABRG2GABRB3GABRA5GABRA3SQOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 — — US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 GABRG2 2436/4885GABRB3 3036/4885GABRA5 3165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback